2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine

C17H17N3O3S — CID 130360176

IUPAC2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine
SMILESCc1cn[nH]c1-c1ccc(OCc2cccc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C17H17N3O3S/c1-12-9-19-20-17(12)16-7-6-14(10-18-16)23-11-13-4-3-5-15(8-13)24(2,21)22/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyQHSDFKACPDGDKH-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.76
Rot. Bonds5

About 2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine

2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine (PubChem CID 130360176) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine
PubChem CID130360176
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine
SMILESCc1cn[nH]c1-c1ccc(OCc2cccc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C17H17N3O3S/c1-12-9-19-20-17(12)16-7-6-14(10-18-16)23-11-13-4-3-5-15(8-13)24(2,21)22/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyQHSDFKACPDGDKH-UHFFFAOYSA-N
XLogP2.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine?
The IUPAC name of 2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine (CID 130360176) is 2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine.
What is the SMILES notation for 2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine?
The canonical SMILES for 2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine is Cc1cn[nH]c1-c1ccc(OCc2cccc(S(C)(=O)=O)c2)cn1.
What is the InChIKey of 2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine?
The InChIKey is QHSDFKACPDGDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-9-19-20-17(12)16-7-6-14(10-18-16)23-11-13-4-3-5-15(8-13)24(2,21)22/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine?
2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine has a molecular weight of 343.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine is sourced from PubChem (CID 130360176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).